ChemSpider 2D Image | N-{[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)ethanamine | C22H25Cl2N3O

N-{[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)ethanamine

  • Molecular FormulaC22H25Cl2N3O
  • Average mass418.359 Da
  • Monoisotopic mass417.137482 Da
  • ChemSpider ID21967350

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-4-methanamine, 1-[(2,6-dichlorophenyl)methyl]-N-[1-(2-methoxyphenyl)ethyl]-3,5-dimethyl- [ACD/Index Name]
N-{[1-(2,6-Dichlorbenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)ethanamin [German] [ACD/IUPAC Name]
N-{[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)ethanamine [ACD/IUPAC Name]
N-{[1-(2,6-Dichlorobenzyl)-3,5-diméthyl-1H-pyrazol-4-yl]méthyl}-1-(2-méthoxyphényl)éthanamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 551.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.6±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 26.99
ACD/KOC (pH 5.5): 66.99
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 1297.05
ACD/KOC (pH 7.4): 3219.76
Polar Surface Area: 39 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 342.9±7.0 cm3

Click to predict properties on the Chemicalize site


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